About

The Spectrum Analyzer Software was designed to analyze .raw files to provide complete information about the spectra. The collected data is output in a .txt file (comma separated values), which can easily be loaded into calculation software, such as Excel or R, where it can be further processed. For each input .raw file an output file with the name [.raw file name]-analysis.txt is created.

Spectrum Analyzer was invented and coded by Frederico Duisberger and inspired by various MassSpec group members.

Features

The following data is collected:

General Spectrum Information:

Spectrum Number

Retention Time

Precursor Spectrum Number

Precursor m/z

NCE

Collision Energy in eV

Isolation width

Low mass

High mass

Cycle Time

Scans after last MS1 scan

Cycle time

Precursor Information (for both MS1 and MS2 scans):

Ion Injection Time

TIC (Total Ion Current)

Intensity

Noise

Signal to Noise

Total Intensity in isolation window

Total intensity in the whole scan

PIF (Precursor Intensity Fraction):

MS1: Precursor Intensity / Sum of Intensities in isolation window

MS2: Precursor Intensity / Sum of Intensities in whole MS2 scan

Precursor Isolation Efficiency = Precursor intensity in MS1/MS2 spectrum (this only yields useful results if the precursor is not fractioned)